[
  {
    "molid": "mol36442",
    "smiles": "CC(=NO)C(=NO)C(=O)N(C)Cc1ccccc1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(=N[O-])C(=NO)C(=O)N(C)Cc1ccccc1",
        "std_free_energy": -1.8834421634674072,
        "relative_population": 0.35193860202549426
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(=NO)C(=N[O-])C(=O)N(C)Cc1ccccc1",
        "std_free_energy": -2.4939708709716797,
        "relative_population": 0.6480613979745058
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CC(=N[O-])C(=N[O-])C(=O)N(C)Cc1ccccc1",
        "std_free_energy": 10.38628101348877,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.8500003814697,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]